Chemical Properties of Tert-butyl cumyl peroxide

InChI

InChI=1S/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3

InChI Key

BIISIZOQPWZPPS-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CC(C)(C)OOC(C)(C)c1ccccc1

Molecular Weight¹

208.30

Other Names

• tert-Butyl «alpha»,«alpha»-dimethylbenzyl peroxide
• Peroxide, tert-butyl «alpha»,«alpha»-dimethylbenzyl
• tert-Butyl cumene peroxide
• Cumyl tert-butyl peroxide
• Kayabutyl C
• Trigonox T
• 1,1-Dimethylethyl 1-methyl-1-phenylethyl peroxide
• Luperco 801-XL
• t-Butyl cumyl peroxide
• Luperox 801

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.89; 611.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.07800e+01
Coefficient B			1.28520e+00
Coefficient C			-8.36200e-04
Coefficient D			2.03200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.89	J/mol×K	273.00	Calculated Property
Cp,gas	318.23	J/mol×K	353.78	Calculated Property
Cp,gas	376.48	J/mol×K	434.56	Calculated Property
Cp,gas	427.27	J/mol×K	515.33	Calculated Property
Cp,gas	471.24	J/mol×K	596.11	Calculated Property
Cp,gas	509.05	J/mol×K	676.89	Calculated Property
Cp,gas	541.33	J/mol×K	757.67	Calculated Property
Cp,gas	568.72	J/mol×K	838.44	Calculated Property
Cp,gas	591.87	J/mol×K	919.22	Calculated Property
Cp,gas	611.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028405; 0.0001219]	Pa×s	[311.99; 545.81]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.32140e+01
Coefficient B			2.29320e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			311.99
Temperature range, max.			545.81
η	0.0028405	Pa×s	311.99	Calculated Property
η	0.0016144	Pa×s	337.97	Calculated Property
η	0.0009946	Pa×s	363.95	Calculated Property
η	0.0006536	Pa×s	389.93	Calculated Property
η	0.0004527	Pa×s	415.91	Calculated Property
η	0.0003273	Pa×s	441.89	Calculated Property
η	0.0002454	Pa×s	467.87	Calculated Property
η	0.0001896	Pa×s	493.85	Calculated Property
η	0.0001503	Pa×s	519.83	Calculated Property
η	0.0001219	Pa×s	545.81	Calculated Property

Similar Compounds

Find more compounds similar to Tert-butyl cumyl peroxide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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